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CAS 1783400-57-6 6,7-Dichloro-1,2,3,4-tetrahydroquinoline molecular structure lightbox
CAS RN: 1783400-57-6

6,7-Dichloro-1,2,3,4-tetrahydroquinoline

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250302 100mg Out of stock Inquiry
Batchno.20260615 1g Out of stock Inquiry
Batchno.20250328 250mg Out of stock Inquiry
  • Product code: LIND893903
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1783400-57-6 / 6,7-dichloro-1,2,3,4-tetrahydroquinoline

Standard CAS: 1783400-57-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1783400-57-6
Multi CAS
No
Molecular Formula
C9H9Cl2N
Molecular Weight
202.080000
Exact Mass
201.011205
SMILES
C1CC2=CC(=C(C=C2NC1)Cl)Cl
InChI
InChI=1S/C9H9Cl2N/c10-7-4-6-2-1-3-12-9(6)5-8(7)11/h4-5,12H,1-3H2
InChIKey
JOVVXQGVCSDDOH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.27
TPSA
12.03

LogP / Solubility

WLOGP
3.35
MLOGP
2.95
XLogP3
3.6
Consensus LogP
3.3
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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